Site preference of ternary additions in Ni{sub 3}Al
Book
·
OSTI ID:78341
- Tohoku Univ., Sendai (Japan). Inst. for Materials Research
The site preference of a large number of alloying elements in Ni{sub 3}Al ({gamma}{prime}) was studied in a systematic way by using electronic structure calculations based on the local density approximation. Alloying elements in this intermetallic may occupy exclusively the Ni or Al sublattices, or may exhibit no particular site preference. By performing the calculations both for spin-polarized and non-spin-polarized cases, it was found that magnetism strongly affects the computed site substitution behavior of Mn, Fe, and Co in Ni{sub 3}Al. In the case of Fe, for example, a preference for the Ni sublattice is computed when magnetic effects are ignored, but when magnetic effects are accounted for it is found that Fe has no significant site preference, in much better agreement with a large number of experimental determinations. Some trends regarding the site preference across the periodic table are shown and discussed.
- OSTI ID:
- 78341
- Report Number(s):
- CONF-941144--; ISBN 1-55899-265-0
- Country of Publication:
- United States
- Language:
- English
Similar Records
Site preference of ternary additions in Ni{sub 3}Si
Site preference of ternary alloying additions in FeAl and NiAl by first-principles calculations
The effect of magnetism on the site preference in Ni{sub 3}Al
Conference
·
Sat Jul 01 00:00:00 EDT 1995
·
OSTI ID:72519
Site preference of ternary alloying additions in FeAl and NiAl by first-principles calculations
Journal Article
·
Sun Mar 31 23:00:00 EST 1996
· Acta Materialia
·
OSTI ID:230786
The effect of magnetism on the site preference in Ni{sub 3}Al
Journal Article
·
Sun Dec 31 23:00:00 EST 1995
· Acta Materialia
·
OSTI ID:271704